CID 65544

63-00-3

Structural Information

Molecular Formula
C19H26O3
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C[C@H](C4=CC(=O)CC[C@]34C)O
InChI
InChI=1S/C19H26O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16,21H,3-8,10H2,1-2H3/t12-,13-,14-,16+,18+,19-/m0/s1
InChIKey
WVAMBAWFDOYFOD-DQXCSHPPSA-N
Compound name
(6R,8R,9S,10R,13S,14S)-6-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

18
Patents

302.1882 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.19548 173.8
[M+Na]+ 325.17742 183.0
[M+NH4]+ 320.22202 185.8
[M+K]+ 341.15136 174.1
[M-H]- 301.18092 175.7
[M+Na-2H]- 323.16287 175.7
[M]+ 302.18765 175.7
[M]- 302.18875 175.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe